# generated using pymatgen data_NaLa6OsI12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.46627500 _cell_length_b 13.38733400 _cell_length_c 13.38733458 _cell_angle_alpha 119.99999857 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaLa6OsI12 _chemical_formula_sum 'Na1 La6 Os1 I12' _cell_volume 1469.25768473 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Na Na0 1 0.00000000 0.00000000 0.00000000 1.0 La La1 1 0.46745100 0.60457300 0.79496200 1.0 La La2 1 0.60457300 0.19038900 0.72293900 1.0 La La3 1 0.19038900 0.53254900 0.92797600 1.0 La La4 1 0.39542700 0.80961100 0.27706100 1.0 La La5 1 0.53254900 0.39542700 0.20503800 1.0 La La6 1 0.80961100 0.46745100 0.07202400 1.0 Os Os7 1 0.50000000 0.50000000 0.00000000 1.0 I I8 1 0.11980500 0.65174300 0.69226900 1.0 I I9 1 0.95947400 0.11980500 0.77154800 1.0 I I10 1 0.72748900 0.81564600 0.39095900 1.0 I I11 1 0.65174300 0.04052600 0.92072100 1.0 I I12 1 0.04052600 0.88019500 0.22845200 1.0 I I13 1 0.18435400 0.42468700 0.15217600 1.0 I I14 1 0.88019500 0.34825700 0.30773100 1.0 I I15 1 0.27251100 0.18435400 0.60904100 1.0 I I16 1 0.34825700 0.95947400 0.07927900 1.0 I I17 1 0.42468700 0.72748900 0.54313500 1.0 I I18 1 0.81564600 0.57531300 0.84782400 1.0 I I19 1 0.57531300 0.27251100 0.45686500 1.0